CID 3079722

126335-09-9

Structural Information

Molecular Formula
C16H10F2N2O3
SMILES
CC1=C(C(=C2C(=N1)COC2=O)C3=CC=CC=C3OC(F)F)C#N
InChI
InChI=1S/C16H10F2N2O3/c1-8-10(6-19)13(14-11(20-8)7-22-15(14)21)9-4-2-3-5-12(9)23-16(17)18/h2-5,16H,7H2,1H3
InChIKey
MGLSVVFTWODJSS-UHFFFAOYSA-N
Compound name
4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-7H-furo[3,4-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06595 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07323 166.4
[M+Na]+ 339.05517 178.9
[M-H]- 315.05867 169.6
[M+NH4]+ 334.09977 179.4
[M+K]+ 355.02911 173.1
[M+H-H2O]+ 299.06321 150.5
[M+HCOO]- 361.06415 181.3
[M+CH3COO]- 375.07980 216.7
[M+Na-2H]- 337.04062 167.4
[M]+ 316.06540 162.5
[M]- 316.06650 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.